SCHEMBL2842541

SCHEMBL2842541

CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N)c(O)cc12

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.45
CYP2C8 P10632 5/20 0.45
CYP2C9 P11712 5/20 0.45
CYP2C19 P33261 4/20 0.45
KCNH2 Q12809 4/20 0.44
NR1I2 O75469 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2840810 0.90 CYP3A4 (0.49) CYP3A4CYP2C8CYP2C9CYP2C19KCNH2
SCHEMBL10241493 0.88 CYP3A4 (0.49) CYP3A4CYP2C8CYP2C9CYP2C19KCNH2
SCHEMBL14763943 0.87 CYP3A4 (0.44) CYP3A4CYP2C8CYP2C9CYP2C19KCNH2
SCHEMBL19797953 0.87 CYP3A4 (0.50) CYP3A4CYP2C8CYP2C9CYP2C19KCNH2
SCHEMBL18038582 0.86 MEN1 (0.52) CYP3A4CYP2C8CYP2C9CYP2C19KCNH2
SCHEMBL17464359 0.86 CYP3A4 (0.45) CYP3A4CYP2C8CYP2C9CYP2C19KCNH2
SCHEMBL2840803 0.85 CYP3A4 (0.45) CYP3A4CYP2C8CYP2C9CYP2C19KCNH2
SCHEMBL2839079 0.85 CYP3A4 (0.47) CYP3A4CYP2C8CYP2C9CYP2C19KCNH2
SCHEMBL2841597 0.84 CYP3A4 (0.44) CYP3A4CYP2C8CYP2C9CYP2C19KCNH2
SCHEMBL4304092 0.83 CYP3A4 (0.58) CYP3A4CYP2C8CYP2C9CYP2C19KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4537315-B2 2010-09-01 JP claimed
US-20070231318-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES SAHA ASHIS K 2007-10-04 US claimed
US-7265152-B2 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED (US) 2007-09-04 US claimed
EP-1581207-A4 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2007-07-25 EP claimed
JP-2006510736-A 2006-03-30 JP claimed
EP-1581207-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2005-10-05 EP claimed
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED 2004-08-19 US claimed
WO-2004041201-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2004-05-21 WO claimed
US-20180099953-A1 BENZOFURANS SUBSTITUTED WITH SECONDARY BENZAMIDE AS HCV INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-12 US disclosed
US-20180030017-A1 BENZOFURANS SUBSTITUTED WITH PRIMARY BENZAMIDE AS HCV INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-01 US disclosed
WO-2016133963-A1 BENZOFURANS SUBSTITUTED WITH SECONDARY BENZAMIDE AS HCV INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-25 WO disclosed
WO-2016133972-A1 SUBSTITUTED BENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-25 WO disclosed
WO-2016133970-A1 BENZOFURANS SUBSTITUTED WITH PRIMARY BENZAMIDE AS HCV INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070231318-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES BBOX1, HAVCR2, CYP2E1 CYP3A4 38/4885CYP2C8 27/4885CYP2C9 129/4885
US-20180099953-A1 BENZOFURANS SUBSTITUTED WITH SECONDARY BENZAMIDE AS HCV INHIBITORS EIF2AK2, UGT2B7, TMBIM6 CYP3A4 107/4885CYP2C8 44/4885CYP2C9 94/4885
US-20180030017-A1 BENZOFURANS SUBSTITUTED WITH PRIMARY BENZAMIDE AS HCV INHIBITORS ZC3HAV1, TMBIM6, EIF2AK2 CYP3A4 159/4885CYP2C8 64/4885CYP2C9 172/4885
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 CYP3A4 38/4885CYP2C8 27/4885CYP2C9 129/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.